SCHEMBL359396

SCHEMBL359396

CC(C)(C)OC(=O)NC(c1ccc(Cl)cc1N)C1CCNC1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 5/20 0.40
SLC6A2 P23975 7/20 0.36
SLC6A4 P31645 7/20 0.36
SLC6A3 Q01959 6/20 0.36
CACNA1B Q00975 1/20 0.36
CYP2D6 P10635 2/20 0.35
SSTR4 P31391 2/20 0.35
TRPA1 O75762 1/20 0.35
SSTR1 P30872 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL357357 0.94 AAK1 (0.41) AAK1SLC6A2SLC6A4SLC6A3CACNA1B
SCHEMBL5619708 0.79 KDM4D (0.41) AAK1SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL3199662 0.78 AAK1 (0.41) AAK1
SCHEMBL5618252 0.77 SLC6A2 (0.45) AAK1SLC6A2SLC6A4SLC6A3CACNA1B
SCHEMBL6680597 0.77 SSTR4 (0.41) AAK1SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL4715530 0.76 SMYD3 (0.46) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL4715527 0.76 SMYD3 (0.46) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL14920778 0.75 KDM4D (0.47) AAK1CACNA1BTRPA1
SCHEMBL14920771 0.75 KDM4D (0.47) AAK1CACNA1BTRPA1
SCHEMBL14920769 0.75 KDM4D (0.47) AAK1CACNA1BTRPA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180298026-A1 Pyrazolo[1,5a]Pyrimidine Derivatives as IRAK4 Modulators HOFFMANN-LA ROCHE INC. 2018-10-18 US disclosed
US-10023589-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators HOFFMANN-LA ROCHE INC. (US) 2018-07-17 US disclosed
EP-3252054-A1 PYRAZOLO[1,5A]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS F. Hoffmann-La Roche AG (CH) 2017-12-06 EP disclosed
EP-2593457-B1 PYRAZOLO[1,5A]PYRIMIDINE AND THIENO[3,2B]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS HOFFMANN LA ROCHE (CH) 2017-08-23 EP disclosed
US-20160207936-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS HOFFMANN-LA ROCHE INC. 2016-07-21 US disclosed
US-9255110-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators ROCHE PALO ALTO LLC (US) 2016-02-09 US disclosed
US-20140303149-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS HOFFMANN-LA ROCHE INC. (US) 2014-10-09 US disclosed
US-20120015962-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS ARORA NIDHI (US) 2012-01-19 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160207936-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 AAK1 402/4885SLC6A2 4753/4885SLC6A4 3855/4885
US-20140303149-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 AAK1 402/4885SLC6A2 4753/4885SLC6A4 3855/4885
US-10023589-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators IRAK4, IRAK1, IRAK2 AAK1 402/4885SLC6A2 4753/4885SLC6A4 3855/4885
US-20120015962-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 AAK1 402/4885SLC6A2 4753/4885SLC6A4 3855/4885
US-20180298026-A1 Pyrazolo[1,5a]Pyrimidine Derivatives as IRAK4 Modulators IRAK4, IRAK1, IRAK2 AAK1 402/4885SLC6A2 4753/4885SLC6A4 3855/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.